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4,4,4-TRICHLOR-2-BUTENSAEUREMETHYLESTER
SpectraBase Compound ID 6dZ2kX5LYBs
InChI InChI=1S/C5H5Cl3O2/c1-10-4(9)2-3-5(6,7)8/h2-3H,1H3/b3-2+
InChIKey PTQHHFNTRMFDLV-NSCUHMNNSA-N
Mol Weight 203.45 g/mol
Molecular Formula C5H5Cl3O2
Exact Mass 201.935512 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9I7Evl5whKZ
Name 4,4,4-Trichloro-trans(?)-2-butenoic acid, methyl ester
CAS Registry Number 37467-94-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C5H5Cl3O2
InChI InChI=1S/C5H5Cl3O2/c1-10-4(9)2-3-5(6,7)8/h2-3H,1H3/b3-2+
InChIKey PTQHHFNTRMFDLV-NSCUHMNNSA-N
Instrument Name Bruker HX-90
Literature Reference W. Kimpenhaus, W. Auf Der Heyde, Liebigs Ann. Chem. 378 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6